Geometry & MOs

Info

ID:	57565
PubChem CID:	22425481
Reduced:	FNSCl2O3H18C25 (1)
Stoich.:	ABCD2E3F18G25 (1)
Weight, g/mol:	501.036848
ΔH_f, kcal/mol:	-94.27
Dipole, Da:	1.53
IP(EA), eV:	-8.69(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-[(2-chlorophenyl)methoxy]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=CC=CC=C2N=C1SCC3=C(C=CC=C3Cl)F)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations